(R)-3-Amino-3-(3-nitrophenyl)propionic acid supplier

Name
(R)-3-AMINO-3-(3-NITRO-PHENYL)-PROPIONIC ACID
EINECS 200-528-9
CAS No. 787544-61-0
Article Data2
CAS DataBase
Density 1.404 g/cm³
Solubility
Melting Point
Formula C₉H₁₀N₂O₄
Boiling Point 384.5 °C at 760 mmHg
Molecular Weight 210.189
Flash Point 186.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (R)-3-(3-nitrophenyl)-beta-alanine;(3R)-3-Amino-3-(3-nitrophenyl)propanoic acid;(R)-?-(3-Nitrophenyl)alanine;R-3-Amino-3-(3-nitro-phenyl)-propionic acid;
PSA 109.14000
LogP 2.29280

(R)-3-Amino-3-(3-nitrophenyl)propionic acid Specification

The (R)-3-Amino-3-(3-nitrophenyl)propionic acid, with the CAS registry number 787544-61-0, has the systematic name of (3R)-3-amino-3-(3-nitrophenyl)propanoic acid. It belongs to the following product categories: 3-Amino-3-phenylpropanoic Acid Analogs; API intermediates; B-Amino. And the molecular formula of the chemical is C₉H₁₀N₂O₄.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 75.36 Å²; (7)Index of Refraction: 1.612; (8)Molar Refractivity: 52.08 cm³; (9)Molar Volume: 149.6 cm³; (10)Polarizability: 20.64×10^-24cm³; (11)Surface Tension: 67.3 dyne/cm; (12)Density: 1.404 g/cm³; (13)Flash Point: 186.4 °C; (14)Enthalpy of Vaporization: 66.79 kJ/mol; (15)Boiling Point: 384.5 °C at 760 mmHg; (16)Vapour Pressure: 1.34E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc(c1)[C@H](N)CC(=O)O
(2)InChI: InChI=1/C9H10N2O4/c10-8(5-9(12)13)6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m1/s1
(3)InChIKey: SJBFILRQMRECCK-MRVPVSSYBM

Product Name

(R)-3-AMINO-3-(3-NITRO-PHENYL)-PROPIONIC ACID

(R)-3-Amino-3-(3-nitrophenyl)propionic acid Specification

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